Information card for entry 7046307

Structure parameters

• Formula: C28 H44 F3 N2 O3 P S
• Calculated formula: C28 H44 F3 N2 O3 P S
• Title of publication: Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ²λ³-phosphorus motif via hydrogen bonding.
• Authors of publication: Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10404 - 10409
• a: 17.1251 ± 0.0014 Å
• b: 8.5823 ± 0.0006 Å
• c: 20.778 ± 0.0015 Å
• α: 90°
• β: 96.75 ± 0.005°
• γ: 90°
• Cell volume: 3032.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No